DFT investigation of Cu(i)-catalyzed addition of 1,4-pentadiene to acetophenone: mechanism and selectivity for the synthesis of a chiral tertiary alcohol with a 1,3-diene unit

Abstract

DFT calculations show a clear understanding of the reaction mechanism and the origin of selectivity in the chiral phosphoric acid ligand-controlled Cu(i)-catalyzed addition of 1,4-pentadiene to acetophenone.